(E)-N-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide

Formula:C27H18N5OCl2FS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
MolecularFormula	C27H18N5OCl2FS2
Smiles	O=C(/C=C/c1cn(-c2ccccc2)nc1-c(cc1)ccc1F)Nc1nnc(SCc(ccc(Cl)c2)c2Cl)s1
InChI	InChI=1S/C27H18Cl2FN5OS2/c28-20-10-6-19(23(29)14-20)16-37-27-33-32-26(38-27)31-24(36)13-9-18-15-35(22-4-2-1-3-5-22)34-25(18)17-7-11-21(30)12-8-17/h1-15H,16H2,(H,31,32,36)
InChIK	NVVBZXSKAXRSAI-UHFFFAOYSA-N
TotalMolweight	582.51
Molweight	582.51
MonoisotopicMass	581.031382
CLogP	6.6672
CLogS	-9.005
H Acceptors	6
H Donors	1
TotalSurfaceArea	417.87
Relative PSA	0.24441
PolarSurfaceArea	126.24
Druglikeness	2.0917
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55263
Fragments	1
Non HAtoms	38
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	28
Sp3Atoms	2
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	4
StereoCon

Click to Load Molecule:

1 - (E)-N-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide | 2 - (E)-N-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide

Request More Details | (E)-N-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments